General Information of the Compound
| Compound ID |
CP0767459
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| Compound Name |
(E)-N-Allyl-2-(1-(pyridin-2-yl)ethylidene)hydrazinecarbothioamide
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| Structure |
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| Formula |
C11H14N4S
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| Molecular Weight |
234.328
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| Canonical SMILES |
C=CCNC(=S)N/N=C(\C)c1ccccn1
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| InChI |
InChI=1S/C11H14N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H2,13,15,16)/b14-9+
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| InChIKey |
FDKSOUXJZSXTHD-NTEUORMPSA-N
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| CAS |
70618-67-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8